BAS 00786974
TL;DR: BAS 00786974 (CAS 352665-97-5) is a chemical compound with molecular formula C23H17BrN2O4 and molecular weight 464.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Also Known As: BAS 00786974, 3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione, AB00092454-01, 3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyl-hexahydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione, F0143-0017
| Molecular Formula | C23H17BrN2O4 |
|---|---|
| Molecular Weight | 464.04 g/mol |
| LogP | 4.2058 |
| Topological Polar Surface Area | 70.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.03717 |
| Heavy Atoms | 30 |
| Complexity | 1122.5618 |
Chemical Identifiers
| CAS Number | 352665-97-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=C(C=CC(=C5)Br)O |
Product Overview
BAS 00786974 (CAS 352665-97-5), with molecular formula C23H17BrN2O4 and molecular weight 464.04 g/mol. IUPAC: 3-(5-bromo-2-hydroxyphenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione.
Chemical Property Profile of BAS 00786974
Property Insights of BAS 00786974
The XLogP value of 4.2058 indicates that BAS 00786974 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.08 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00786974. Following Lipinski's Rule of Five, BAS 00786974 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00786974?
The CAS number of BAS 00786974 is 352665-97-5.
What is the molecular formula of BAS 00786974?
The molecular formula of BAS 00786974 is C23H17BrN2O4.
What is the molecular weight of BAS 00786974?
The molecular weight of BAS 00786974 is 464.04 g/mol.
Where can I buy BAS 00786974?
You can request a quote for BAS 00786974 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00786974?
Yes, KEHONG BIO provides custom synthesis services for BAS 00786974 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.